CID 4721428

55980-45-5

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC1=CC=C(C=C1)CNC(C)(C)C

InChI

InChI=1S/C12H19N/c1-10-5-7-11(8-6-10)9-13-12(2,3)4/h5-8,13H,9H2,1-4H3

InChIKey

BTOKYMQGPPWSTM-UHFFFAOYSA-N

Compound name

2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 177.15175 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.159026	141.5
[M+Na]+	200.140968	148.3
[M-H]-	176.144474	145.3
[M+NH4]+	195.185573	162.0
[M+K]+	216.114908	146.1
[M+H-H2O]+	160.149010	136.1
[M+HCOO]-	222.149951	164.6
[M+CH3COO]-	236.165601	186.1
[M+Na-2H]-	198.126416	148.4
[M]+	177.15120142	141.6
[M]-	177.15229858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe